3-Chloro-2-fluorotoluene - CAS 85089-31-2
Catalog: |
BB037468 |
Product Name: |
3-Chloro-2-fluorotoluene |
CAS: |
85089-31-2 |
Synonyms: |
1-chloro-2-fluoro-3-methylbenzene; 1-chloro-2-fluoro-3-methylbenzene |
IUPAC Name: | 1-chloro-2-fluoro-3-methylbenzene |
Description: | 3-Chloro-2-fluorotoluene (CAS# 85089-31-2) is a useful research chemical. |
Molecular Weight: | 144.57 |
Molecular Formula: | C7H6ClF |
Canonical SMILES: | CC1=C(C(=CC=C1)Cl)F |
InChI: | InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3 |
InChI Key: | LHPJOUKIBAEPMW-UHFFFAOYSA-N |
Boiling Point: | 92-94 ℃ / 86 mmHg |
LogP: | 2.78750 |
Publication Number | Title | Priority Date |
WO-2021108198-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20191126 |
WO-2021081141-A1 | Glucosylceramide synthase inhibitors and therapeutic methods using the same | 20191023 |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
WO-2021023247-A1 | Kras mutant protein inhibitor | 20190807 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.014206 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.014206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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